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#23;O-[METHYL-(5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL)-ONATE]-(2->6)-O-(2-ACETAMIDO-3,4-DI-O-ACETYL-2-DEOXY
SpectraBase Compound ID FDPsFDkCq8h
InChI InChI=1S/C47H65N5O24/c1-23(53)50-33(43(62)48-16-17-49-46(64)68-19-32-14-12-11-13-15-32)20-67-44-38(52-25(3)55)41(74-31(9)61)39(72-29(7)59)36(75-44)22-69-47(45(63)65-10)18-34(70-27(5)57)37(51-24(2)54)42(76-47)40(73-30(8)60)35(71-28(6)58)21-66-26(4)56/h11-15,33-42,44H,16-22H2,1-10H3,(H,48,62)(H,49,64)(H,50,53)(H,51,54)(H,52,55)/t33-,34+,35+,36-,37-,38-,39+,40-,41-,42-,44+,47-/m1/s1
InChIKey QXWFBOSAQHKHRB-GCHFPPABSA-N
Mol Weight 1084.0 g/mol
Molecular Formula C47H65N5O24
Exact Mass 1083.401948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3DZORhRoJr
Name #23;O-[METHYL-(5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYL)-ONATE]-(2->6)-O-(2-ACETAMIDO-3,4-DI-O-ACETYL-2-DEOXY
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H65N5O24
InChI InChI=1S/C47H65N5O24/c1-23(53)50-33(43(62)48-16-17-49-46(64)68-19-32-14-12-11-13-15-32)20-67-44-38(52-25(3)55)41(74-31(9)61)39(72-29(7)59)36(75-44)22-69-47(45(63)65-10)18-34(70-27(5)57)37(51-24(2)54)42(76-47)40(73-30(8)60)35(71-28(6)58)21-66-26(4)56/h11-15,33-42,44H,16-22H2,1-10H3,(H,48,62)(H,49,64)(H,50,53)(H,51,54)(H,52,55)/t33-,34+,35+,36-,37-,38-,39+,40-,41-,42-,44+,47-/m1/s1
InChIKey QXWFBOSAQHKHRB-GCHFPPABSA-N
Literature Reference Author K.MIYAJIMA,T.NEKADO,K.IKEDA,K.ACHIWA
Literature Reference Citation CHEM.PHARM.BULL.,46,1676(1998)
Literature Reference DOI 10.1248/cpb.46.1676
Molecular Weight 1084.052 g/mol
Solvent CDCl3
Source File Reference UWMS20778